⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13774328 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL17489626 | 0.80 | MGAM (0.30) | — | |
| SCHEMBL464449 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7370219 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL14684664 | 0.77 | DPP4 (0.34) | — | |
| SCHEMBL423404 | 0.76 | LMNA (0.42) | — | |
| SCHEMBL19090735 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL21629430 | 0.74 | LMNA (0.41) | — | |
| SCHEMBL452234 | 0.74 | GAA (0.54) | — | |
| SCHEMBL19062717 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2809660-B1 | MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 | ENSEMBLE THERAPEUTICS CORP (US) | 2016-01-20 | — | — | EP | disclosed |